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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 10969   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581474
PNG
((2s,4s)-2-(2-(3-(tert-Butyl)phenyl)-7-azaspiro[3.5...)
Show SMILES CC(C)(C)c1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.23,wD:23.26,(9.82,-.16,;8.48,-.93,;8.48,.61,;9.82,-1.7,;7.15,-1.7,;7.15,-3.24,;5.82,-4.01,;4.48,-3.24,;4.48,-1.7,;5.82,-.93,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581599
PNG
((2r,4s)-2-(2-(5-(tert-Butyl)-2-methylphenyl)-7-aza...)
Show SMILES Cc1ccc(cc1C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2)C(C)(C)C |r,wU:18.20,wD:20.23,(3.21,-4.01,;4.54,-3.24,;5.88,-4.01,;7.21,-3.24,;7.21,-1.7,;5.88,-.93,;4.54,-1.7,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,;8.54,-.93,;9.88,-.16,;8.54,.61,;9.88,-1.7,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581624
PNG
((rac)-(2s,4s)-2-(2-(4-(Trifluoromethyl)phenyl)-8-a...)
Show SMILES FC(F)(F)c1ccc(cc1)C1CCC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(10.43,.68,;9.09,-.09,;9.49,1.39,;10.43,-.86,;7.6,-.49,;7.21,-1.98,;5.72,-2.38,;4.63,-1.29,;5.03,.2,;6.52,.6,;3.14,-1.69,;2.24,-2.93,;.77,-2.46,;.77,-.92,;2.24,-.44,;-.56,-1.69,;-1.9,-.92,;-1.9,.62,;-.56,1.39,;.77,.62,;-3.23,1.39,;-3.23,2.93,;-4.56,.62,;-4.96,-.86,;-6.45,-.47,;-6.05,1.02,;-6.61,-2,;-8.12,-2.32,;-8.89,-.98,;-10.43,-.98,;-7.86,.16,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581534
PNG
((2s,4s)-2-[2-(3-Isopropylphenyl)-7-azaspiro[3.5]no...)
Show SMILES CC(C)c1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:20.22,wD:22.25,(9.82,-1.7,;8.48,-.93,;8.48,.61,;7.15,-1.7,;7.15,-3.24,;5.82,-4.01,;4.48,-3.24,;4.48,-1.7,;5.82,-.93,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581597
PNG
((2s,4s)-2-[2-(2,4-Dimethylphenyl)-7-azaspiro[3.5]n...)
Show SMILES Cc1ccc(C2CC3(C2)CCN(CC3)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)c(C)c1 |r,wU:16.17,wD:18.20,(9.15,-4.01,;7.82,-3.24,;7.82,-1.7,;6.48,-.93,;5.15,-1.7,;3.81,-.93,;2.33,-1.33,;1.93,.16,;3.42,.56,;.59,-.61,;-.74,.16,;-.74,1.7,;.59,2.47,;1.93,1.7,;-2.07,2.47,;-2.07,4.01,;-3.41,1.7,;-3.8,.21,;-5.29,.61,;-4.89,2.1,;-5.29,-.93,;-6.76,-1.41,;-7.66,-.16,;-9.15,.24,;-6.76,1.09,;5.15,-3.24,;3.81,-4.01,;6.48,-4.01,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581596
PNG
((2r,4s)-2-(2-(3-(tert-Butyl)phenyl)-7-azaspiro[3.5...)
Show SMILES CC(C)(C)c1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)CCC(=O)N2 |r,wU:21.23,wD:23.26,(9.82,-1.7,;8.48,-.93,;8.48,.61,;9.82,-.16,;7.15,-1.7,;7.15,-3.24,;5.82,-4.01,;4.48,-3.24,;4.48,-1.7,;5.82,-.93,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581635
PNG
((rac)-(2s,4s)-2-(6-(3-(tert-Butyl)phenyl)-2-azaspi...)
Show SMILES CC(C)(C)c1cccc(c1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:21.23,(9.51,-2.32,;8,-2.58,;7.46,-4.03,;8.98,-3.77,;7.01,-1.4,;7.55,.05,;6.56,1.23,;5.04,.97,;4.51,-.47,;5.49,-1.66,;2.97,-.47,;2.07,-1.72,;.6,-1.24,;.6,.3,;.36,1.82,;-1.16,1.58,;-.92,.06,;-2.41,2.49,;-2.41,4.03,;-3.81,1.86,;-4.21,.37,;-5.7,.77,;-5.3,2.26,;-5.62,-.77,;-7.06,-1.32,;-8.03,-.12,;-9.51,.08,;-7.19,1.17,;2.07,.78,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581518
PNG
((2s,4s)-2-[2-(3-Cyclopropylphenyl)-7-azaspiro[3.5]...)
Show SMILES O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CCC2(CC(C2)c2cccc(c2)C2CC2)CC1 |r,wU:2.1,wD:4.4,(-2.84,4.01,;-2.84,2.47,;-4.18,1.7,;-4.57,.21,;-6.06,.61,;-5.66,2.1,;-6.06,-.93,;-7.53,-1.41,;-8.43,-.16,;-9.92,.24,;-7.53,1.09,;-1.51,1.7,;-1.51,.16,;-.18,-.61,;1.16,.16,;1.56,-1.33,;3.04,-.93,;2.65,.56,;4.38,-1.7,;4.38,-3.24,;5.71,-4.01,;7.05,-3.24,;7.05,-1.7,;5.71,-.93,;8.38,-.93,;9.92,-.93,;9.15,.4,;1.16,1.7,;-.18,2.47,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581594
PNG
((2s,4s)-2-[2-[3-(Trifluoromethoxy)phenyl]-7-azaspi...)
Show SMILES FC(F)(F)Oc1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(8.53,2.18,;8.53,.64,;10.07,.64,;6.99,.64,;8.53,-.9,;7.2,-1.67,;7.15,-3.24,;5.82,-4.01,;4.48,-3.24,;4.48,-1.7,;5.82,-.93,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581601
PNG
((2r,4s)-2-(2-(6-(tert-Butyl)pyridin-2-yl)-7-azaspi...)
Show SMILES CC(C)(C)c1cccc(n1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.23,wD:23.26,(9.88,-.16,;8.54,-.93,;8.54,.61,;9.88,-1.7,;7.21,-1.7,;7.21,-3.24,;5.88,-4.01,;4.54,-3.24,;4.54,-1.7,;5.88,-.93,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581650
PNG
((2s,4s)-2-(6-(3-(tert-Butyl)phenyl)-2-azaspiro[3.3...)
Show SMILES CC(C)(C)c1cccc(c1)C1CC2(C1)CN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.21,wD:21.24,(8.07,.84,;8.07,-.7,;9.4,-1.47,;9.4,.07,;6.74,-1.47,;6.74,-3.01,;5.4,-3.78,;4.07,-3.01,;4.07,-1.47,;5.4,-.7,;2.74,-.7,;1.25,-1.1,;.85,.38,;2.34,.78,;-.64,-.01,;-1.04,1.47,;.45,1.87,;-2.37,2.24,;-2.37,3.78,;-3.7,1.47,;-4.1,-.01,;-5.59,.39,;-5.19,1.87,;-5.51,-1.15,;-6.95,-1.7,;-7.92,-.51,;-9.4,-.43,;-7.08,.78,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581631
PNG
((2s,4R*)-2-((S*)-6-(4-(Trifluoromethyl)phenyl)-2-a...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@H]1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:10.10,19.20,wD:21.23,(9.12,.44,;8.54,-.99,;9.48,-2.2,;10.06,-.77,;7.01,-1.2,;6.43,-2.63,;4.91,-2.84,;3.96,-1.62,;4.54,-.2,;6.07,.02,;2.42,-1.62,;1.52,-2.87,;.05,-2.39,;.05,-.85,;-.19,.67,;-1.71,.43,;-1.47,-1.1,;-2.96,1.33,;-2.96,2.87,;-4.36,.7,;-4.76,-.78,;-6.25,-.38,;-5.85,1.1,;-6.17,-1.92,;-7.61,-2.47,;-8.57,-1.28,;-10.06,-1.08,;-7.74,.01,;1.52,-.38,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581642
PNG
((rac)-(2s,4s)-2-(2-(3-(tert-Butyl)phenyl)-8-azaspi...)
Show SMILES CC(C)(C)c1cccc(c1)C1CCC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(7.66,-4.22,;8.36,-2.84,;9.9,-2.76,;9.2,-4.13,;7.52,-1.55,;8.1,-.13,;7.16,1.09,;5.63,.88,;5.05,-.54,;5.99,-1.76,;3.51,-.54,;2.6,-1.79,;1.14,-1.31,;1.14,.23,;2.6,.71,;-.19,-.54,;-1.53,.23,;-1.54,1.77,;-.19,2.54,;1.14,1.77,;-2.79,2.68,;-2.79,4.22,;-4.2,2.05,;-4.6,.56,;-6.08,.96,;-5.68,2.45,;-6,-.58,;-7.44,-1.13,;-8.41,.07,;-9.9,.21,;-7.57,1.36,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581648
PNG
((rac)-(2s,4s)-2-(6-(4-Isopropylphenyl)-2-azaspiro[...)
Show SMILES CC(C)c1ccc(cc1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:18.19,wD:20.22,(9.62,.42,;8.95,-.97,;9.82,-2.24,;7.41,-1.08,;6.74,-2.47,;5.21,-2.58,;4.34,-1.31,;5.01,.08,;6.55,.19,;2.81,-1.42,;1.9,-2.67,;.44,-2.19,;.44,-.65,;-1.05,-1.05,;-1.45,.43,;.04,.83,;-2.78,1.2,;-2.78,2.74,;-4.12,.43,;-4.52,-1.05,;-6,-.65,;-5.6,.83,;-5.92,-2.19,;-7.36,-2.74,;-8.33,-1.55,;-9.82,-1.41,;-7.49,-.26,;1.9,-.18,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581643
PNG
((rac)-(2s,4s)-2-(2-(4-(tert-Butyl)phenyl)-8-azaspi...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CCC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(9.63,-2.96,;8.76,-1.69,;9.41,-.3,;10.29,-1.57,;7.22,-1.81,;6.56,-3.21,;5.03,-3.33,;4.15,-2.06,;4.81,-.67,;6.34,-.55,;2.61,-2.06,;1.71,-3.31,;.24,-2.83,;.24,-1.29,;1.71,-.82,;-1.25,-1.69,;-2.34,-.6,;-1.94,.88,;-.45,1.28,;.64,.19,;-3.18,1.79,;-3.18,3.33,;-4.59,1.16,;-4.99,-.32,;-6.48,.07,;-6.08,1.56,;-6.4,-1.46,;-7.83,-2.01,;-8.8,-.82,;-10.29,-.69,;-7.96,.47,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581634
PNG
((rac)-(2s,4s)-2-(6-(4-(tert-Butyl)phenyl)-2-azaspi...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:21.23,(9.17,.26,;8.54,-1.14,;9.45,-2.39,;10.08,-.98,;7.01,-1.3,;6.39,-2.71,;4.85,-2.87,;3.95,-1.62,;4.58,-.22,;6.11,-.06,;2.41,-1.62,;1.5,-2.87,;.04,-2.39,;.04,-.85,;-.2,.67,;-1.72,.43,;-1.48,-1.1,;-2.97,1.33,;-2.97,2.87,;-4.38,.7,;-4.77,-.78,;-6.26,-.38,;-5.86,1.1,;-6.18,-1.92,;-7.62,-2.47,;-8.59,-1.28,;-10.08,-1.15,;-7.75,.01,;1.5,-.38,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581595
PNG
((2s,4s)-2-[2-(2,3-Dimethylphenyl)-7-azaspiro[3.5]n...)
Show SMILES Cc1cccc(C2CC3(C2)CCN(CC3)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)c1C |r,wU:17.18,wD:19.21,(9.15,-.93,;7.82,-1.7,;7.82,-3.24,;6.48,-4.01,;5.15,-3.24,;5.15,-1.7,;3.81,-.93,;2.33,-1.33,;1.93,.16,;3.42,.56,;.59,-.61,;-.74,.16,;-.74,1.7,;.59,2.47,;1.93,1.7,;-2.07,2.47,;-2.07,4.01,;-3.41,1.7,;-3.8,.21,;-5.29,.61,;-4.89,2.1,;-5.29,-.93,;-6.76,-1.41,;-7.66,-.16,;-9.15,.24,;-6.76,1.09,;6.48,-.93,;6.48,.61,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581646
PNG
((rac)-(2s,4s)-2-(6-(3-Isopropylphenyl)-2-azaspiro[...)
Show SMILES CC(C)c1cccc(c1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:18.19,wD:20.22,(9.48,-2.44,;7.95,-2.55,;7.28,-3.94,;7.08,-1.28,;7.75,.11,;6.88,1.38,;5.35,1.27,;4.68,-.12,;5.54,-1.39,;3.14,-.23,;2.24,-1.48,;.77,-1,;.77,.54,;-.72,.14,;-1.11,1.63,;.37,2.03,;-2.45,2.4,;-2.45,3.94,;-3.78,1.63,;-4.18,.14,;-5.67,.54,;-5.27,2.03,;-5.59,-1,;-7.03,-1.55,;-7.99,-.35,;-9.48,-.22,;-7.16,.94,;2.24,1.01,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581658
PNG
((2s,4s)-2-(6-(3-Cyclobutylphenyl)-2-azaspiro[3.3]h...)
Show SMILES O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(CC(C2)c2cccc(c2)C2CCC2)C1 |r,wU:2.1,wD:4.4,(-2.62,3.78,;-2.62,2.24,;-3.95,1.47,;-4.35,-.01,;-5.84,.39,;-5.44,1.87,;-5.76,-1.15,;-7.2,-1.7,;-8.17,-.51,;-9.71,-.51,;-7.33,.78,;-1.29,1.47,;-.89,-.01,;.6,.38,;1,-1.1,;2.49,-.7,;2.09,.78,;3.82,-1.47,;3.82,-3.01,;5.15,-3.78,;6.49,-3.01,;6.49,-1.47,;5.15,-.7,;7.82,-.7,;9.31,-1.1,;9.71,.38,;8.22,.78,;.2,1.87,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581625
PNG
((rac)-(2s,4s)-8-Methyl-2-(2-(4-(trifluoromethyl)ph...)
Show SMILES CC1OC(=O)N[C@@]11C[C@@H](C1)C(=O)N1CCC2(CCC(C2)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:8.11,wD:6.10,(-5.45,-3.04,;-6.61,-1.89,;-8.12,-2.21,;-8.89,-.87,;-10.43,-.87,;-7.86,.27,;-6.45,-.35,;-4.96,-.75,;-4.56,.73,;-6.05,1.13,;-3.23,1.5,;-3.23,3.04,;-1.9,.73,;-1.9,-.81,;-.56,-1.58,;.77,-.81,;.77,-2.35,;2.24,-2.82,;3.14,-1.58,;2.24,-.33,;4.63,-1.18,;5.72,-2.27,;7.21,-1.87,;7.6,-.38,;6.52,.71,;5.03,.31,;9.09,.02,;10.43,.79,;9.49,1.51,;10.43,-.75,;.77,.73,;-.56,1.5,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581630
PNG
((2s,4s)-2-((R*)-6-(4-(Trifluoromethyl)phenyl)-2-az...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:10.10,21.23,(9.22,.19,;8.57,-1.21,;9.46,-2.47,;10.11,-1.08,;7.04,-1.35,;6.39,-2.74,;4.85,-2.88,;3.97,-1.62,;4.62,-.22,;6.15,-.09,;2.43,-1.62,;1.52,-2.86,;.06,-2.39,;.06,-.85,;-.18,.67,;-1.7,.43,;-1.46,-1.09,;-2.95,1.34,;-2.95,2.88,;-4.36,.71,;-4.75,-.78,;-6.24,-.38,;-5.84,1.11,;-6.16,-1.92,;-7.6,-2.47,;-8.57,-1.27,;-10.11,-1.15,;-7.73,.02,;1.52,-.37,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581645
PNG
((2s,4s)-2-(2-(3-(tert-Butyl)phenyl)-6-azaspiro[3.4...)
Show SMILES CC(C)(C)c1cccc(c1)C1CC2(C1)CCN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:20.22,wD:22.25,(9.63,-1.89,;8.09,-2.01,;7.42,-3.39,;8.86,-3.34,;7.23,-.73,;7.89,.65,;7.03,1.93,;5.49,1.81,;4.82,.43,;5.69,-.85,;3.29,.31,;2.2,-.78,;1.11,.31,;2.2,1.4,;.2,-.93,;-1.26,-.46,;-1.26,1.08,;.2,1.56,;-2.59,1.85,;-2.59,3.39,;-3.93,1.08,;-4.33,-.4,;-5.81,-.01,;-5.42,1.48,;-5.73,-1.54,;-7.17,-2.1,;-8.14,-.9,;-9.63,-.83,;-7.3,.39,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581652
PNG
((2s,4s)-2-(6-(3-Isopropylphenyl)-2-azaspiro[3.3]he...)
Show SMILES CC(C)c1cccc(c1)C1CC2(C1)CN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:18.20,wD:20.23,(9.4,-1.47,;8.07,-.7,;8.07,.84,;6.74,-1.47,;6.74,-3.01,;5.4,-3.78,;4.07,-3.01,;4.07,-1.47,;5.4,-.7,;2.74,-.7,;1.25,-1.1,;.85,.38,;2.34,.78,;-.64,-.01,;-1.04,1.47,;.45,1.87,;-2.37,2.24,;-2.37,3.78,;-3.7,1.47,;-4.1,-.01,;-5.59,.39,;-5.19,1.87,;-5.51,-1.15,;-6.95,-1.7,;-7.92,-.51,;-9.4,-.3,;-7.08,.78,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581657
PNG
((2s,4s)-2-(6-(3-Cyclopropylphenyl)-2-azaspiro[3.3]...)
Show SMILES O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(CC(C2)c2cccc(c2)C2CC2)C1 |r,wU:2.1,wD:4.4,(-2.45,3.78,;-2.45,2.24,;-3.78,1.47,;-4.18,-.01,;-5.67,.39,;-5.27,1.87,;-5.59,-1.15,;-7.02,-1.7,;-7.99,-.51,;-9.53,-.51,;-7.15,.78,;-1.11,1.47,;-.71,-.01,;.77,.38,;1.17,-1.1,;2.66,-.7,;2.26,.78,;3.99,-1.47,;3.99,-3.01,;5.33,-3.78,;6.66,-3.01,;6.66,-1.47,;5.33,-.7,;7.99,-.7,;9.53,-.7,;8.76,.63,;.37,1.87,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581629
PNG
((rac)-(2s,4s)-2-(6-(4-(Trifluoromethyl)phenyl)-2-a...)
Show SMILES FC(F)(F)c1ccc(cc1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:21.23,(9.23,.19,;8.55,-1.19,;9.4,-2.47,;10.09,-1.09,;7.01,-1.29,;6.33,-2.67,;4.79,-2.77,;3.94,-1.49,;4.62,-.11,;6.16,-.01,;2.4,-1.62,;1.49,-2.87,;.03,-2.39,;.03,-.85,;-.21,.67,;-1.73,.43,;-1.49,-1.1,;-2.98,1.33,;-2.98,2.87,;-4.39,.7,;-4.78,-.78,;-6.27,-.38,;-5.87,1.1,;-6.19,-1.92,;-7.63,-2.47,;-8.6,-1.28,;-10.09,-.88,;-7.76,.01,;1.49,-.38,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581620
PNG
((2s,4s)-2-(2-(2-(tert-Butyl)pyrimidin-4-yl)-7-azas...)
Show SMILES CC(C)(C)c1nccc(n1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.23,wD:23.26,(9.88,-.16,;8.54,-.93,;8.54,.61,;9.88,-1.7,;7.21,-1.7,;7.21,-3.24,;5.88,-4.01,;4.54,-3.24,;4.54,-1.7,;5.88,-.93,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581601
PNG
((2r,4s)-2-(2-(6-(tert-Butyl)pyridin-2-yl)-7-azaspi...)
Show SMILES CC(C)(C)c1cccc(n1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.23,wD:23.26,(9.88,-.16,;8.54,-.93,;8.54,.61,;9.88,-1.7,;7.21,-1.7,;7.21,-3.24,;5.88,-4.01,;4.54,-3.24,;4.54,-1.7,;5.88,-.93,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581612
PNG
((2r,4s)-2-(2-(5-(tert-Butyl)-2-methoxyphenyl)-7-az...)
Show SMILES COc1ccc(cc1C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2)C(C)(C)C |r,wU:19.21,wD:21.24,(1.87,-3.24,;3.21,-4.01,;4.54,-3.24,;5.88,-4.01,;7.21,-3.24,;7.21,-1.7,;5.88,-.93,;4.54,-1.7,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,;8.54,-.93,;9.88,-.16,;8.54,.61,;9.88,-1.7,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581608
PNG
((2r,4s)-2-(2-(5-(tert-Butyl)-2-ethoxyphenyl)-7-aza...)
Show SMILES CCOc1ccc(cc1C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2)C(C)(C)C |r,wU:20.22,wD:22.25,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;$,(.54,-4.01,;1.87,-3.24,;3.21,-4.01,;4.54,-3.24,;5.88,-4.01,;7.21,-3.24,;7.21,-1.7,;5.88,-.93,;4.54,-1.7,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,;8.54,-.93,;9.88,-.16,;8.54,.61,;9.88,-1.7,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581598
PNG
((2s,4s)-2-[2-(2-(Tert-butyl)pyridin-4-yl)-7-azaspi...)
Show SMILES CC(C)(C)c1cc(ccn1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.23,wD:23.26,(9.82,-.16,;8.48,-.93,;8.48,.61,;9.82,-1.7,;7.15,-1.7,;5.82,-.93,;4.48,-1.7,;4.48,-3.24,;5.82,-4.01,;7.15,-3.24,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581659
PNG
((2s,4s)-2-(6-(2,3-Dihydro-1H-inden-5-yl)-2-azaspir...)
Show SMILES O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(CC(C2)c2ccc3CCCc3c2)C1 |r,wU:2.1,wD:4.4,(-2.14,3.78,;-2.14,2.24,;-3.48,1.47,;-3.88,-.01,;-5.36,.39,;-4.97,1.87,;-5.52,-1.15,;-7.03,-1.47,;-7.8,-.13,;-9.33,.03,;-6.77,1.01,;-.81,1.47,;.68,1.87,;1.08,.39,;2.56,.78,;2.96,-.7,;1.47,-1.1,;4.3,-1.47,;4.3,-3.01,;5.63,-3.78,;6.96,-3.01,;8.43,-3.49,;9.33,-2.24,;8.43,-1,;6.96,-1.47,;5.63,-.7,;-.41,-.01,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581638
PNG
((rac)-(2s,4s)-2-(6-Cyclohexyl-2-azaspiro[3.4]octan...)
Show SMILES O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(C1)CCC(C2)C1CCCCC1 |r,wU:2.1,wD:4.4,(-1.44,2.88,;-1.44,1.34,;-2.85,.71,;-3.25,-.77,;-4.73,-.37,;-4.33,1.11,;-4.65,-1.91,;-6.09,-2.46,;-7.06,-1.27,;-8.55,-1.06,;-6.22,.02,;-.19,.44,;1.33,.68,;1.57,-.84,;.05,-1.09,;1.57,-2.38,;3.03,-2.86,;3.94,-1.61,;3.03,-.37,;5.48,-1.61,;6.35,-2.88,;7.89,-2.76,;8.55,-1.37,;7.67,-.1,;6.14,-.22,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581661
PNG
((2s,4s)-2-(7-Phenyl-2-azaspiro[3.5]nonane-2-carbon...)
Show SMILES O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(C1)CCC(CC2)c1ccccc1 |r,wU:2.1,wD:4.4,(-1.35,4.01,;-1.35,2.47,;-2.68,1.7,;-3.08,.21,;-4.57,.61,;-4.17,2.1,;-4.73,-.92,;-6.24,-1.24,;-7.01,.09,;-8.54,.25,;-5.98,1.24,;-.02,1.7,;1.47,2.1,;1.87,.61,;.38,.21,;1.87,-.93,;3.2,-1.7,;4.54,-.93,;4.54,.61,;3.2,1.38,;5.87,-1.7,;5.87,-3.24,;7.2,-4.01,;8.54,-3.24,;8.54,-1.7,;7.2,-.93,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581607
PNG
((2r,4s)-2-(2-(5-(tert-Butyl)-2-fluorophenyl)-7-aza...)
Show SMILES CC(C)(C)c1ccc(F)c(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(9.88,-.16,;8.54,-.93,;8.54,.61,;9.88,-1.7,;7.21,-1.7,;7.21,-3.24,;5.88,-4.01,;4.54,-3.24,;3.21,-4.01,;4.54,-1.7,;5.88,-.93,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581617
PNG
((2s,4s)-2-(2-(3-Fluoro-6-(trifluoromethyl)pyridin-...)
Show SMILES Fc1ccc(nc1C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2)C(F)(F)F |r,wU:18.20,wD:20.23,(3.21,-4.01,;4.54,-3.24,;5.88,-4.01,;7.21,-3.24,;7.26,-1.67,;5.88,-.93,;4.54,-1.7,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,;8.59,-.9,;9.92,-.13,;9.36,-2.24,;7.82,.43,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581633
PNG
((2r,4R*)-2-((S*)-6-(4-(Trifluoromethyl)phenyl)-2-a...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@H]1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:10.10,19.20,wD:21.23,(9.18,.23,;8.54,-1.17,;9.44,-2.42,;10.08,-1.02,;7.01,-1.32,;6.38,-2.72,;4.84,-2.87,;3.95,-1.62,;4.58,-.22,;6.12,-.07,;2.41,-1.62,;1.5,-2.87,;.04,-2.39,;.04,-.85,;-.2,.67,;-1.72,.43,;-1.48,-1.09,;-2.97,1.33,;-2.97,2.87,;-4.38,.71,;-4.78,-.78,;-6.26,-.38,;-5.87,1.11,;-6.18,-1.92,;-7.62,-2.47,;-8.59,-1.27,;-10.08,-1.08,;-7.75,.02,;1.5,-.38,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581644
PNG
((2s,4s)-2-(2-(3-Isopropylphenyl)-6-azaspiro[3.4]oc...)
Show SMILES CC(C)c1cccc(c1)C1CC2(C1)CCN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.21,wD:21.24,(7.56,-3.25,;8.17,-1.84,;9.7,-1.66,;7.25,-.6,;7.86,.81,;6.94,2.05,;5.41,1.87,;4.8,.45,;5.72,-.78,;3.26,.38,;2.23,-.76,;1.09,.28,;2.12,1.42,;.24,-1.01,;-1.24,-.6,;-1.33,.94,;.12,1.48,;-2.67,1.71,;-2.67,3.25,;-4,.94,;-4.4,-.55,;-5.89,-.15,;-5.49,1.34,;-5.81,-1.69,;-7.24,-2.24,;-8.21,-1.04,;-9.7,-.99,;-7.37,.25,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581606
PNG
((2s,4s)-2-(2-(4-(tert-Butyl)pyridin-2-yl)-7-azaspi...)
Show SMILES CC(C)(C)c1ccnc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.23,wD:23.26,(9.88,-.16,;8.54,-.93,;8.54,.61,;9.88,-1.7,;7.21,-1.7,;7.21,-3.24,;5.88,-4.01,;4.54,-3.24,;4.54,-1.7,;5.88,-.93,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581654
PNG
((2s,4s)-2-(6-Cyclohexyl-2-azaspiro[3.3]heptane-2-c...)
Show SMILES O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(CC(C2)C2CCCCC2)C1 |r,wU:2.1,wD:4.4,(-1.04,3.78,;-1.04,2.24,;-2.37,1.47,;-2.77,-.01,;-4.26,.39,;-3.86,1.87,;-4.18,-1.15,;-5.61,-1.7,;-6.58,-.51,;-8.07,-.3,;-5.74,.78,;.3,1.47,;.7,-.01,;2.18,.38,;2.58,-1.1,;4.07,-.7,;3.67,.78,;5.4,-1.47,;5.4,-3.01,;6.74,-3.78,;8.07,-3.01,;8.07,-1.47,;6.74,-.7,;1.78,1.87,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581636
PNG
((rac)-(2s,4s)-2-(6-(3-(tert-Butyl)phenyl)-2-azaspi...)
Show SMILES CC1OC(=O)N[C@@]11C[C@@H](C1)C(=O)N1CC2(C1)CCC(C2)c1cccc(c1)C(C)(C)C |r,wU:8.11,wD:6.10,(-4.3,-1.56,;-5.59,-.72,;-7.03,-1.27,;-8,-.08,;-9.48,.13,;-7.16,1.22,;-5.67,.82,;-4.18,.42,;-3.78,1.91,;-5.27,2.3,;-2.38,2.53,;-2.38,4.07,;-1.13,1.63,;.39,1.87,;.63,.35,;-.89,.11,;.63,-1.19,;2.1,-1.67,;3,-.42,;2.1,.82,;4.54,-.42,;5.12,1,;6.65,1.21,;7.59,-0,;7.01,-1.43,;5.49,-1.64,;7.96,-2.65,;9.48,-2.44,;7.38,-4.07,;8.9,-3.86,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581653
PNG
((2s,4s)-2-(6-(3,4-Dimethylphenyl)-2-azaspiro[3.3]h...)
Show SMILES Cc1ccc(cc1C)C1CC2(C1)CN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:17.19,wD:19.22,(8.74,-3.78,;7.4,-3.01,;6.07,-3.78,;4.74,-3.01,;4.74,-1.47,;6.07,-.7,;7.4,-1.47,;8.74,-.7,;3.4,-.7,;1.91,-1.1,;1.52,.38,;3,.78,;.03,-.01,;-.37,1.47,;1.12,1.87,;-1.7,2.24,;-1.7,3.78,;-3.04,1.47,;-3.44,-.01,;-4.92,.39,;-4.52,1.87,;-4.84,-1.15,;-6.28,-1.7,;-7.25,-.51,;-8.74,-.37,;-6.41,.78,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581613
PNG
((2s,4s)-2-(2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl...)
Show SMILES FC1(F)Oc2ccc(cc2O1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.25,wD:24.28,(10.39,-1.7,;9.06,-2.47,;10.39,-3.24,;8.16,-3.72,;6.69,-3.24,;5.36,-4.01,;4.02,-3.24,;4.02,-1.7,;5.36,-.93,;6.69,-1.7,;8.16,-1.22,;2.69,-.93,;1.2,-1.33,;.8,.16,;2.29,.56,;-.53,-.61,;-1.86,.16,;-1.86,1.7,;-.53,2.47,;.8,1.7,;-3.2,2.47,;-3.2,4.01,;-4.53,1.7,;-4.93,.21,;-6.42,.61,;-6.02,2.1,;-6.58,-.92,;-8.08,-1.24,;-8.85,.09,;-10.39,.09,;-7.82,1.24,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581640
PNG
((rac)-(2s,4s)-2-(6-Cyclopentyl-2-azaspiro[3.4]octa...)
Show SMILES O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(C1)CCC(C2)C1CCCC1 |r,wU:2.1,wD:4.4,(-1.14,2.87,;-1.14,1.33,;-2.54,.7,;-2.94,-.78,;-4.43,-.38,;-4.03,1.1,;-4.35,-1.92,;-5.79,-2.47,;-6.76,-1.28,;-8.24,-1.07,;-5.92,.01,;.11,.43,;1.63,.67,;1.87,-.85,;.35,-1.1,;1.87,-2.39,;3.34,-2.87,;4.24,-1.62,;3.34,-.38,;5.78,-1.62,;6.87,-2.71,;8.24,-2.01,;8,-.49,;6.48,-.25,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581545
PNG
((2s,4s)-2-[2-(m-Tolyl)-7-azaspiro[3.5]nonane-7-car...)
Show SMILES Cc1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:18.20,wD:20.23,(9.15,-.93,;7.82,-1.7,;7.82,-3.24,;6.48,-4.01,;5.15,-3.24,;5.15,-1.7,;6.48,-.93,;3.81,-.93,;2.33,-1.33,;1.93,.16,;3.42,.56,;.59,-.61,;-.74,.16,;-.74,1.7,;.59,2.47,;1.93,1.7,;-2.07,2.47,;-2.07,4.01,;-3.41,1.7,;-3.8,.21,;-5.29,.61,;-4.89,2.1,;-5.29,-.93,;-6.76,-1.41,;-7.66,-.16,;-9.15,.24,;-6.76,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581655
PNG
((2s,4s)-2-(6-(3,5-Dimethylphenyl)-2-azaspiro[3.3]h...)
Show SMILES Cc1cc(C)cc(c1)C1CC2(C1)CN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:17.19,wD:19.22,(8.74,.07,;7.4,-.7,;7.4,-2.24,;6.07,-3.01,;6.07,-4.55,;4.74,-2.24,;4.74,-.7,;6.07,.07,;3.4,.07,;1.91,-.33,;1.52,1.15,;3,1.55,;.03,.76,;-.37,2.24,;1.12,2.64,;-1.7,3.01,;-1.7,4.55,;-3.04,2.24,;-3.44,.76,;-4.92,1.16,;-4.52,2.64,;-4.84,-.38,;-6.28,-.93,;-7.25,.26,;-8.74,.47,;-6.41,1.55,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581610
PNG
((2r,4s)-2-[2-(3-Isopropylphenyl)-7-azaspiro[3.5]no...)
Show SMILES CC(C)c1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:20.22,wD:22.25,(8.54,.61,;8.54,-.93,;9.88,-1.7,;7.21,-1.7,;7.21,-3.24,;5.88,-4.01,;4.54,-3.24,;4.54,-1.7,;5.88,-.93,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581622
PNG
((2s,4s)-2-[2-(2-(tert-Butyl)oxazol-5-yl)-7-azaspir...)
Show SMILES CC(C)(C)c1ncc(o1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:20.22,wD:22.25,(9.92,-1.65,;8.43,-2.05,;8.83,-.56,;9.52,-3.14,;6.94,-2.45,;6.17,-3.78,;4.66,-3.46,;4.5,-1.93,;5.91,-1.3,;3.17,-1.16,;1.68,-1.56,;1.28,-.07,;2.77,.33,;-.05,-.84,;-1.38,-.07,;-1.38,1.47,;-.05,2.24,;1.28,1.47,;-2.72,2.24,;-2.72,3.78,;-4.05,1.47,;-4.45,-.02,;-5.94,.38,;-5.54,1.87,;-6.1,-1.15,;-7.61,-1.47,;-8.38,-.14,;-9.92,-.14,;-7.34,1.01,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581632
PNG
((2r,4S*)-2-((R*)-6-(4-(Trifluoromethyl)phenyl)-2-a...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:10.10,21.23,(9.2,.19,;8.55,-1.21,;9.43,-2.47,;10.08,-1.07,;7.01,-1.35,;6.36,-2.74,;4.83,-2.88,;3.94,-1.62,;4.59,-.22,;6.13,-.09,;2.4,-1.62,;1.5,-2.86,;.03,-2.39,;.03,-.85,;-.21,.67,;-1.73,.43,;-1.49,-1.09,;-2.97,1.34,;-2.97,2.88,;-4.38,.71,;-4.78,-.78,;-6.27,-.38,;-5.87,1.11,;-6.19,-1.92,;-7.62,-2.47,;-8.59,-1.27,;-10.08,-1.07,;-7.75,.02,;1.5,-.37,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581504
PNG
((2s,4s)-2-(2-(o-Tolyl)-7-azaspiro[3.5]nonane-7-car...)
Show SMILES Cc1ccccc1C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:18.20,wD:20.23,(7.15,.61,;7.15,-.93,;8.48,-1.7,;8.48,-3.24,;7.15,-4.01,;5.82,-3.24,;5.82,-1.7,;4.48,-.93,;2.99,-1.33,;2.6,.16,;4.08,.56,;1.26,-.61,;-.07,.16,;-.07,1.7,;1.26,2.47,;2.6,1.7,;-1.41,2.47,;-1.41,4.01,;-2.74,1.7,;-3.14,.21,;-4.63,.61,;-4.23,2.1,;-4.63,-.93,;-6.09,-1.41,;-7,-.16,;-8.48,.24,;-6.09,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581603
PNG
((2r,4s)-2-[2-[3-Chloro-4-(trifluoromethyl)phenyl]-...)
Show SMILES FC(F)(F)c1ccc(cc1Cl)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(9.92,-4.14,;8.59,-3.37,;7.82,-4.7,;9.36,-2.04,;7.26,-2.6,;5.88,-3.34,;4.54,-2.57,;4.54,-1.03,;5.88,-.26,;7.21,-1.03,;8.54,-.26,;3.21,-.26,;1.72,-.66,;1.32,.83,;2.81,1.22,;-.01,.06,;-1.35,.83,;-1.35,2.37,;-.01,3.14,;1.32,2.37,;-2.68,3.14,;-2.68,4.68,;-4.01,2.37,;-4.41,.88,;-5.9,1.28,;-5.5,2.76,;-6.06,-.25,;-7.57,-.57,;-8.34,.76,;-9.88,.76,;-7.31,1.9,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
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